5M8G
| Tubulin-MTD265 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(2-morpholin-4-yl-6-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ... | Authors: | Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P. | Deposit date: | 2016-10-28 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.147 Å) | Cite: | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention. Nat Commun, 8, 2017
|
|
5M8D
| Tubulin MTD265-R1 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(6-morpholin-4-yl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ... | Authors: | Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P. | Deposit date: | 2016-10-28 | Release date: | 2017-03-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention. Nat Commun, 8, 2017
|
|
5NGB
| |
5C46
| |
5C4G
| |
5EE5
| Structure of human ARL1 in complex with the DCB domain of BIG1 | Descriptor: | ACETATE ION, ADP-ribosylation factor-like protein 1, Brefeldin A-inhibited guanine nucleotide-exchange protein 1, ... | Authors: | Galindo, A, Soler, N, Munro, S. | Deposit date: | 2015-10-22 | Release date: | 2016-07-06 | Last modified: | 2016-07-27 | Method: | X-RAY DIFFRACTION (2.279 Å) | Cite: | Structural Insights into Arl1-Mediated Targeting of the Arf-GEF BIG1 to the trans-Golgi. Cell Rep, 16, 2016
|
|
1DLO
| HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 | Descriptor: | HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 REVERSE TRANSCRIPTASE | Authors: | Hsiou, Y, Ding, J, Das, K, Hughes, S, Arnold, E. | Deposit date: | 1996-04-17 | Release date: | 1996-08-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of unliganded HIV-1 reverse transcriptase at 2.7 A resolution: implications of conformational changes for polymerization and inhibition mechanisms. Structure, 4, 1996
|
|
2HMI
| HIV-1 REVERSE TRANSCRIPTASE/FRAGMENT OF FAB 28/DNA COMPLEX | Descriptor: | DNA (5'-D(*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*A)-3'), FAB FRAGMENT OF MONOCLONAL ANTIBODY 28, ... | Authors: | Ding, J, Arnold, E. | Deposit date: | 1998-04-10 | Release date: | 1998-10-14 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure and functional implications of the polymerase active site region in a complex of HIV-1 RT with a double-stranded DNA template-primer and an antibody Fab fragment at 2.8 A resolution. J.Mol.Biol., 284, 1998
|
|
1HRI
| STRUCTURE DETERMINATION OF ANTIVIRAL COMPOUND SCH 38057 COMPLEXED WITH HUMAN RHINOVIRUS 14 | Descriptor: | 1-[6-(2-CHLORO-4-METHYXYPHENOXY)-HEXYL]-IMIDAZOLE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ... | Authors: | Zhang, A, Nanni, R.G, Oren, D.A, Arnold, E. | Deposit date: | 1992-10-01 | Release date: | 1993-10-31 | Last modified: | 2023-01-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure determination of antiviral compound SCH 38057 complexed with human rhinovirus 14. J.Mol.Biol., 230, 1993
|
|
3EN5
| Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP494, a multitargeted kinase inhibitor | Descriptor: | 1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | Authors: | Blair, J.A, Apsel, B, Knight, Z.A, Shokat, K.M. | Deposit date: | 2008-09-25 | Release date: | 2008-10-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases. Nat.Chem.Biol., 4, 2008
|
|
3EN7
| Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with S1, a multitargeted kinase inhibitor | Descriptor: | 3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL, Proto-oncogene tyrosine-protein kinase Src | Authors: | Blair, J.A, Apsel, B, Knight, Z.A, Shokat, K.M. | Deposit date: | 2008-09-25 | Release date: | 2008-10-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases. Nat.Chem.Biol., 4, 2008
|
|
3EN6
| Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP102, a multitargeted kinase inhibitor | Descriptor: | 1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | Authors: | Blair, J.A, Apsel, B, Knight, Z.A, Shokat, K.M. | Deposit date: | 2008-09-25 | Release date: | 2008-10-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases. Nat.Chem.Biol., 4, 2008
|
|
3EN4
| Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP121, a multitargeted kinase inhibitor | Descriptor: | 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | Authors: | Blair, J.A, Apsel, B, Knight, Z.A, Shokat, K.M. | Deposit date: | 2008-09-25 | Release date: | 2008-10-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases. Nat.Chem.Biol., 4, 2008
|
|
1VRH
| HRV14/SDZ 880-061 COMPLEX | Descriptor: | 2-[4-(2H-1,4-BENZOTHIAZINE-3-YL)-PIPERAZINE-1-LY]-1,3-THIAZOLE-4-CARBOXYLIC ACID ETHYLESTER, RHINOVIRUS 14 | Authors: | Oren, D.A, Zhang, A, Arnold, E. | Deposit date: | 1996-02-26 | Release date: | 1997-02-12 | Last modified: | 2023-03-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Synthesis and activity of piperazine-containing antirhinoviral agents and crystal structure of SDZ 880-061 bound to human rhinovirus 14. J.Mol.Biol., 259, 1996
|
|
1U5T
| Structure of the ESCRT-II endosomal trafficking complex | Descriptor: | Defective in vacuolar protein sorting; Vps36p, Hypothetical 23.6 kDa protein in YUH1-URA8 intergenic region, appears to be functionally related to SNF7; Snf8p | Authors: | Hierro, A, Sun, J, Rusnak, A.S, Kim, J, Prag, G, Emr, S.D, Hurley, J.H. | Deposit date: | 2004-07-28 | Release date: | 2004-09-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structure of ESCRT-II endosomal trafficking complex Nature, 431, 2004
|
|
1TVR
| HIV-1 RT/9-CL TIBO | Descriptor: | 4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE, REVERSE TRANSCRIPTASE | Authors: | Das, K, Ding, J, Hsiou, Y, Arnold, E. | Deposit date: | 1996-04-16 | Release date: | 1997-03-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of 8-Cl and 9-Cl TIBO complexed with wild-type HIV-1 RT and 8-Cl TIBO complexed with the Tyr181Cys HIV-1 RT drug-resistant mutant. J.Mol.Biol., 264, 1996
|
|
1UWB
| TYR 181 CYS HIV-1 RT/8-CL TIBO | Descriptor: | 5-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE, REVERSE TRANSCRIPTASE | Authors: | Das, K, Ding, J, Hsiou, Y, Arnold, E. | Deposit date: | 1996-11-21 | Release date: | 1997-05-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structures of 8-Cl and 9-Cl TIBO complexed with wild-type HIV-1 RT and 8-Cl TIBO complexed with the Tyr181Cys HIV-1 RT drug-resistant mutant. J.Mol.Biol., 264, 1996
|
|
3ZTS
| Hexagonal form P6122 of the Aquifex aeolicus nucleoside diphosphate kinase (FINAL STAGE OF RADIATION DAMAGE) | Descriptor: | NUCLEOSIDE DIPHOSPHATE KINASE | Authors: | Boissier, F, Georgescauld, F, Moynie, L, Dupuy, J.-W, Sarger, C, Podar, M, Lascu, I, Giraud, M.-F, Dautant, A. | Deposit date: | 2011-07-12 | Release date: | 2012-03-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | An Inter-Subunit Disulphide Bridge Stabilizes the Tetrameric Nucleoside Diphosphate Kinase of Aquifex Aeolicus Proteins, 80, 2012
|
|
3ZTQ
| Hexagonal crystal form P61 of the Aquifex aeolicus nucleoside diphosphate kinase | Descriptor: | NUCLEOSIDE DIPHOSPHATE KINASE | Authors: | Boissier, F, Georgescauld, F, Moynie, L, Dupuy, J.-W, Sarger, C, Podar, M, Lascu, I, Giraud, M.-F, Dautant, A. | Deposit date: | 2011-07-12 | Release date: | 2012-02-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An Inter-Subunit Disulphide Bridge Stabilizes the Tetrameric Nucleoside Diphosphate Kinase of Aquifex Aeolicus Proteins, 80, 2012
|
|
3ZTO
| Orthorhombic crystal form C222 of the Aquifex aeolicus nucleoside diphosphate kinase | Descriptor: | NUCLEOSIDE DIPHOSPHATE KINASE, SULFATE ION | Authors: | Boissier, F, Georgescauld, F, Moynie, L, Dupuy, J.-W, Sarger, C, Podar, M, Lascu, I, Giraud, M.-F, Dautant, A. | Deposit date: | 2011-07-12 | Release date: | 2012-03-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | An Intersubunit Disulfide Bridge Stabilizes the Tetrameric Nucleoside Diphosphate Kinase of Aquifex Aeolicus. Proteins, 80, 2012
|
|
3ZTR
| Hexagonal form P6122 of the Aquifex aeolicus nucleoside diphosphate kinase (FIRST STAGE OF RADIATION DAMAGE) | Descriptor: | NUCLEOSIDE DIPHOSPHATE KINASE | Authors: | Boissier, F, Georgescauld, F, Moynie, L, Dupuy, J.-W, Sarger, C, Podar, M, Lascu, I, Giraud, M.-F, Dautant, A. | Deposit date: | 2011-07-12 | Release date: | 2012-03-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | An Inter-Subunit Disulphide Bridge Stabilizes the Tetrameric Nucleoside Diphosphate Kinase of Aquifex Aeolicus Proteins, 80, 2012
|
|
3ZTP
| Orthorhombic crystal form P21212 of the Aquifex aeolicus nucleoside diphosphate kinase | Descriptor: | GLYCEROL, NUCLEOSIDE DIPHOSPHATE KINASE, SULFATE ION | Authors: | Boissier, F, Georgescauld, F, Moynie, L, Dupuy, J.-W, Sarger, C, Podar, M, Lascu, I, Giraud, M.-F, Dautant, A. | Deposit date: | 2011-07-12 | Release date: | 2012-03-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | An Intersubunit Disulfide Bridge Stabilizes the Tetrameric Nucleoside Diphosphate Kinase of Aquifex Aeolicus. Proteins, 80, 2012
|
|
2HUR
| Escherichia coli nucleoside diphosphate kinase | Descriptor: | NUCLEOSIDE DIPHOSPHATE KINASE, SULFATE ION | Authors: | Moynie, L, Giraud, M.-F, Georgescauld, F, Lascu, I, Dautant, A. | Deposit date: | 2006-07-27 | Release date: | 2007-04-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | The structure of the Escherichia coli nucleoside diphosphate kinase reveals a new quaternary architecture for this enzyme family Proteins, 67, 2007
|
|
1HRV
| HRV14/SDZ 35-682 COMPLEX | Descriptor: | 1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-PROPYL]-4-(2-PYRIDYL)-PIPERAZINE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ... | Authors: | Oren, D.A, Zhang, A, Arnold, E. | Deposit date: | 1995-03-02 | Release date: | 1995-06-03 | Last modified: | 2023-03-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | SDZ 35-682, a new picornavirus capsid-binding agent with potent antiviral activity. Antiviral Res., 26, 1995
|
|
1BQN
| TYR 188 LEU HIV-1 RT/HBY 097 | Descriptor: | (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE, REVERSE TRANSCRIPTASE | Authors: | Hsiou, Y, Das, K, Ding, J, Arnold, E. | Deposit date: | 1998-08-17 | Release date: | 1999-01-06 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structures of Tyr188Leu mutant and wild-type HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor HBY 097: inhibitor flexibility is a useful design feature for reducing drug resistance. J.Mol.Biol., 284, 1998
|
|